SCHEMBL1833875

SCHEMBL1833875

O=[N+]([O-])c1c(Cl)nc(SCCC(F)(F)F)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28429276 0.90 TLR7 (0.34) TLR7
SCHEMBL28387675 0.81 MGMT (0.32)
SCHEMBL1254741 0.79 TLR7 (0.51) TLR7
SCHEMBL28386004 0.79 ALDH1A1 (0.37) TLR7
SCHEMBL1829942 0.76 HASPIN (0.44) TLR7
SCHEMBL7480837 0.75 TLR7 (0.43) TLR7
SCHEMBL10074072 0.75 HASPIN (0.40) TLR7
SCHEMBL11780377 0.71 MAPT (0.36) TLR7
SCHEMBL16019753 0.71 TLR7 (0.47) TLR7
SCHEMBL29121458 0.70 PTGER4 (0.34) TLR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105481922-B Preparation method of cangrelor intermediate 上海勋和医药科技有限公司 2020-06-16 CN disclosed
US-RE46276-E1 Triazolo(4,5-D)pyrimidine compounds ASTRAZENECA UK LIMITED (GB) 2017-01-17 US disclosed
US-20150152111-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION ASTRAZENECA UK LIMITED (GB) 2015-06-04 US disclosed
US-20130109702-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION ASTRAZENECA AB (GB) 2013-05-02 US disclosed
US-20130072503-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION ASTRAZENECA (GB) 2013-03-21 US disclosed
US-20120165348-A1 Novel compounds ASTRAZENECA AB (SE) 2012-06-28 US disclosed
EP-1386917-B1 Intermediates for the preparation of certain triazolopyrimidines as P2T antagonists ASTRAZENECA AB (SE) 2011-06-22 EP disclosed
EP-2322513-A2 Intermediates AstraZeneca AB (SE) 2011-05-18 EP disclosed
US-20100069408-A1 Trisubstituted triazolopyrimidines for use in platelet aggregation inhibition ASTRAZENECA AB (SE) 2010-03-18 US disclosed
US-20080214812-A1 Trisubstituted triazolopyrimidines for use in platelet aggregation inhibition ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-20030144305-A1 Novel compounds ASTRAZENECA AB 2003-07-31 US disclosed
US-6525060-B1 P2T (P2YADP or P2TAC) receptor antagonists; anticoagulant, antithrombotic ASTRAZENECA UK LIMITED (GB) 2003-02-25 US disclosed
EP-0840740-B1 NEW INHIBITORS OF PLATELET AGGREGATION ASTRAZENECA AB (SE) 2002-05-02 EP disclosed
EP-0946561-B1 TRIAZOLO(4,5-D)PYRIMIDINYL DERIVATIVES AND THEIR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2002-02-13 EP disclosed
US-6297232-B1 TREATMENT OF PLATELET AGGREGATION DISORDERS. ASTRAZENECA AB (SE) 2001-10-02 US disclosed
EP-1135391-A1 NOVEL TRIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-09-26 EP disclosed
WO-2000034283-A1 NOVEL TRIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-06-15 WO disclosed
EP-0946561-A1 TRIAZOLO(4,5-D)PYRIMIDINYL DERIVATIVES AND THEIR USE AS MEDICAMENTS Astra Pharmaceuticals Limited (GB) 1999-10-06 EP disclosed
WO-1998028300-A1 TRIAZOLO[4,5-D]PYRIMIDINYL DERIVATIVES AND THEIR USE AS MEDICAMENTS ASTRA PHARMACEUTICALS LTD. (GB) 1998-07-02 WO disclosed
US-5747496-A Inhibitors of platelet aggregation ASTRA PHARMACEUTICALS LIMITED (GB) 1998-05-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120165348-A1 Novel compounds P2RX5, P2RX4, P2RY4 TLR7 719/4885
US-20150152111-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION THPO, PF4, P2RY4 TLR7 2134/4885
US-20080214812-A1 Trisubstituted triazolopyrimidines for use in platelet aggregation inhibition THPO, PF4, P2RY4 TLR7 2134/4885
US-20100069408-A1 Trisubstituted triazolopyrimidines for use in platelet aggregation inhibition THPO, PF4, P2RY4 TLR7 2134/4885
US-20030144305-A1 Novel compounds DPYD, TYMP, NUDT15 TLR7 947/4885
US-20130072503-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION THPO, PF4, P2RY4 TLR7 2134/4885
US-20130109702-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION THPO, PF4, P2RY4 TLR7 2134/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.